N-[(1S)-1-(3-nitrophenyl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-(3-nitrophenyl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(3-nitrophenyl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(3-nitrophenyl)ethyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(3-nitrophenyl)ethyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(3-nitrophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NCCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])NCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25N3O2/c1-14(15-7-5-8-16(13-15)19(20)21)17-9-6-12-18-10-3-2-4-11-18/h5,7-8,13-14,17H,2-4,6,9-12H2,1H3/p+1/t14-/m0/s1